2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide

C12H23N3O3 — CID 3221016

IUPAC2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCC(NC(C)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-10(16)14-11-3-6-15(7-4-11)9-12(17)13-5-8-18-2/h11H,3-9H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyGIICIYJOUXMTGB-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.65
Rot. Bonds6

About 2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide

2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 3221016) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID3221016
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCC(NC(C)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-10(16)14-11-3-6-15(7-4-11)9-12(17)13-5-8-18-2/h11H,3-9H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyGIICIYJOUXMTGB-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide (CID 3221016) is 2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCC(NC(C)=O)CC1.
What is the InChIKey of 2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is GIICIYJOUXMTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-10(16)14-11-3-6-15(7-4-11)9-12(17)13-5-8-18-2/h11H,3-9H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of 2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide?
2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 257.33 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3221016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).